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From single-crystal growth to degradation suppression: The role of V2O5 doping in high-voltage spinel LiNi0.5Mn1.5O4 从单晶生长到降解抑制:V2O5掺杂在高压尖晶石LiNi0.5Mn1.5O4中的作用
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-12 DOI: 10.1016/j.est.2026.120856
Jongbeom Lee , Chanjoo Park , Donghwan Kim , Jaeheon Jung , Kwangjin Park
High−voltage cathode materials such as LiNi0.5Mn1.5O4 (LNMO) are promising for high power applications. Nevertheless, challenges such as electrolyte decomposition, Transition Metal (TM) dissolution, and gas evolution resulting from high−voltage operation continue to hinder LNMO commercialization. Most current material enhancements require separate modification steps. In this study, we concomitantly perform both doping and Single Crystal (SC) formation by employing V2O5 as a dopant at temperatures below the spinel sintering. During the sintering process, V2O5 facilitates the conversion of LiOH to Li2O, causing the precursor to form intermediate phases rather than crystallizing directly into the spinel structure. The presence of intermediate phases and their conversion to Li2O facilitate the formation of a highly crystalline spinel phase. The V–doped SC spinel (LNMVO) exhibits improved resistance to TM dissolution due to the stabilized (111) facet in electrolytic environments, while its structural robustness is strengthened by the incorporation of V5+, thereby effectively mitigating cell degradation and enhancing cycling stability. The cathode synthesis process was systematically elucidated by combining high-temperature XRD, TG–DSC, and SEM analyses, while the degradation pathway was further validated through in-situ XRD and post-mortem characterization after full-cell cycling. This comprehensive investigation, spanning from structure evolution to material failure, offers key insights for facilitating the commercialization of LNMO.
高压阴极材料如LiNi0.5Mn1.5O4 (LNMO)在高功率应用中很有前途。然而,电解液分解、过渡金属(TM)溶解和高压操作导致的气体析出等挑战仍然阻碍着LNMO的商业化。大多数当前的材料增强都需要单独的修改步骤。在本研究中,我们使用V2O5作为掺杂剂,在低于尖晶石烧结的温度下同时进行掺杂和单晶(SC)形成。在烧结过程中,V2O5促进了LiOH向Li2O的转化,使前驱体形成中间相,而不是直接结晶成尖晶石结构。中间相的存在及其向Li2O的转化促进了高结晶尖晶石相的形成。v掺杂的SC尖晶石(LNMVO)由于在电解环境中具有稳定的(111)面,因此具有更好的耐TM溶解性,而V5+的掺入增强了其结构稳健性,从而有效地减轻了细胞降解并提高了循环稳定性。通过高温XRD、TG-DSC和SEM分析对阴极合成过程进行了系统阐述,并通过原位XRD和全电池循环后的尸检表征进一步验证了降解途径。这项从结构演变到材料失效的全面研究,为促进LNMO的商业化提供了关键见解。
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引用次数: 0
Research on the fuzzy proportional-integral-derivative control strategy of a hybrid battery thermal management system under different ambient temperatures 不同环境温度下混合电池热管理系统模糊比例-积分-导数控制策略研究
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-12 DOI: 10.1016/j.est.2026.121039
Zhongyi Liu, Bo Qiao, Nana Qi
To enhance the safety of lithium-ion batteries operating under high ambient temperatures, this study proposes a hybrid battery thermal management system (BTMS) integrating phase change material (PCM) and liquid cooling. Numerical simulations are conducted to analyze the thermal performance of the system under different ambient temperatures. Furthermore, under high ambient temperature, the effects of coolant inlet flow velocity on battery thermal behavior and system energy consumption are investigated, revealing a significant trade-off between these two metrics. To achieve precise temperature control and reduce energy consumption, a fuzzy proportional-integral-derivative (PID) algorithm is introduced to dynamically regulate the maximum battery temperature. Corresponding control strategies are developed for different ambient temperatures, and the selection of control parameters is discussed. Finally, the superiority of the proposed algorithm is validated through comparative analysis. The results demonstrate that setting the coolant inlet temperature 5 °C below the target temperature can maintain the battery module's maximum temperature difference within approximately 4.3 °C. Compared to the constant-flow liquid cooling mode with a 0.2 m/s velocity, the fuzzy PID control strategy reduces system energy consumption by up to 75%. In addition, the maximum battery temperature decreased by 29.05% compared to a system without liquid cooling control at 40 °C ambient temperature, effectively compensating for the reduction in the heat absorption capacity of the PCM beyond its phase change temperature.
为了提高锂离子电池在高温环境下的安全性,本研究提出了一种集成相变材料(PCM)和液体冷却的混合电池热管理系统(BTMS)。通过数值模拟分析了系统在不同环境温度下的热性能。此外,在高环境温度下,研究了冷却剂进口流速对电池热行为和系统能耗的影响,揭示了这两个指标之间的重要权衡。为了实现精确的温度控制和降低能耗,引入模糊比例-积分-导数(PID)算法动态调节电池最高温度。针对不同的环境温度制定了相应的控制策略,并对控制参数的选择进行了讨论。最后,通过对比分析验证了所提算法的优越性。结果表明,将冷却液进口温度设置在目标温度以下5℃,可以使电池模块的最大温差保持在4.3℃左右。与速度为0.2 m/s的恒流液冷模式相比,模糊PID控制策略可使系统能耗降低75%。此外,在40°C环境温度下,与没有液冷控制的系统相比,电池的最高温度降低了29.05%,有效地补偿了PCM在相变温度以上吸热能力的降低。
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引用次数: 0
Synergistic effect of PPy/Zn-MOF supported on layered reduced graphene oxide as a superior electrode material for enhanced supercapacitor applications 层状还原氧化石墨烯支持的PPy/Zn-MOF作为增强超级电容器应用的优越电极材料的协同效应
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-12 DOI: 10.1016/j.est.2026.120583
V. Snowlin , H. Joy Prabu , Mani Govindasamy , J. Salamon , I. Johnson , Ahmed M. Fouda
The research work focuses on a simple approach for preparing a ternary composite, Reduced Graphene Oxide/Polypyrrole/Zinc-Metal-Organic Framework (rGO/PPy/Zn-MOF), as an electrode material for enhanced supercapacitor applications. The synthesis is carried out by a simple co-precipitation method, resulting in a well-integrated composite with superior electrochemical properties. The chemical and physical characteristics of the synthesized material are investigated through various spectral and analytical techniques. Key characterization studies such as Cyclic Voltammetry (CV), Galvanostatic Charge-Discharge (GCD) and Electrochemical Impedance Spectroscopy (EIS) analysis were performed to assess the electrochemical properties of the material. The composite exhibits a specific capacitance of 733 F/g at 1 A/g in a three-electrode system with 97.89% capacitance retention over 5000 continuous charge-discharge cycles, confirming its excellent stability. Furthermore, in an asymmetric two-electrode configuration (rGO/PPy/Zn-MOF//Activated Carbon), the device achieves a high energy density of 42.5 Wh/kg at a power density of 930.5 W/kg, with 95.4% cyclic stability, highlighting its suitability for practical energy storage applications. These findings highlight rGO/PPy/Zn-MOF (CPM – Carbon - Polymer - MOF composite) as a potential material for diverse commercial supercapacitor applications providing excellent capacitance and long-term stability.
研究工作的重点是制备三元复合材料的简单方法,还原氧化石墨烯/聚吡咯/锌金属有机框架(rGO/PPy/Zn-MOF),作为增强型超级电容器应用的电极材料。通过简单的共沉淀法合成,得到了具有优异电化学性能的集成良好的复合材料。通过各种光谱和分析技术研究了合成材料的化学和物理特性。通过循环伏安法(CV)、恒流充放电法(GCD)和电化学阻抗谱(EIS)等关键表征研究来评估材料的电化学性能。该复合材料在三电极系统中,在1 a /g时的比电容为733 F/g,在5000次连续充放电循环中电容保持率为97.89%,证实了其优异的稳定性。此外,在不对称双电极结构(rGO/PPy/Zn-MOF//活性炭)下,该器件在90.5 W/kg的功率密度下实现了42.5 Wh/kg的高能量密度,循环稳定性为95.4%,突出了其在实际储能应用中的适用性。这些发现突出了rGO/PPy/Zn-MOF (CPM -碳-聚合物-MOF复合材料)作为各种商业超级电容器应用的潜在材料,具有优异的电容和长期稳定性。
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引用次数: 0
Hybrid fuel gauge approach based on incremental and low-current open-circuit voltage methods for continuous state-of-charge estimation in lithium-ion batteries 基于增量和小电流开路电压法的锂离子电池连续充电状态估计混合燃料计方法
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120862
Faiz Majeed , Dania Batool , Sein Oh , Seok-Teak Yun , Jonghoon Kim
Accurate state-of-charge (SOC) estimation is essential for battery management systems in portable electronics, electric scooters, and electric vehicles. Most systems rely on fuel gauge integrated circuits using coulomb counting, which accumulates drift over time and requires recalibration through open-circuit voltage (OCV), a process that depends on impractical zero-current rest periods in continuous-use applications. Therefore, this study introduces a hybrid SOC estimation methodology that combines the strengths of traditional OCV methods through a dynamic weights approach. The proposed method uniquely enables recalibration during rest periods without requiring zero current, allowing real-time and reliable SOC monitoring under varying load conditions. The hybrid technique was validated through comprehensive experimentation, including a case study of an electric scooter tested on a C8051F41 microcontroller under room temperature, 5 °C, and 45 °C operating conditions. This case study simulated real-world operating scenarios, demonstrating the hybrid method's superior accuracy with a mean absolute error of 0.1552% and a root mean square error of 0.2046% at room temperature while maintaining comparable accuracy at 5 °C and 45 °C, outperforming traditional OCV methods. This adaptive approach ensures robust SOC estimation, making it particularly suitable for microcontroller-based systems where computational efficiency and simplicity are crucial. Through addressing the practical limitations of traditional SOC-OCV methods, this research enhances the capabilities of fuel gauge ICs in commercial applications.
准确的荷电状态(SOC)估算对于便携式电子产品、电动滑板车和电动汽车的电池管理系统至关重要。大多数系统依赖于使用库仑计数的燃油计集成电路,随着时间的推移会累积漂移,需要通过开路电压(OCV)重新校准,这一过程依赖于连续使用应用中不切实际的零电流休息时间。因此,本研究引入了一种混合SOC估计方法,该方法通过动态权重方法结合了传统OCV方法的优点。所提出的方法独特地实现了在休息期间的重新校准,而无需零电流,允许在不同负载条件下实时可靠地监测SOC。通过综合实验验证了混合技术,包括在C8051F41微控制器上测试电动滑板车的案例研究,在室温,5°C和45°C的工作条件下进行测试。该案例研究模拟了真实的操作场景,证明了混合方法在室温下的平均绝对误差为0.1552%,均方根误差为0.2046%,同时在5°C和45°C下保持相当的精度,优于传统的OCV方法。这种自适应方法确保了稳健的SOC估计,使其特别适用于基于微控制器的系统,其中计算效率和简单性至关重要。通过解决传统SOC-OCV方法的实际局限性,本研究提高了燃油计ic在商业应用中的能力。
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引用次数: 0
A novel energy storage strategy for cement composites in smart buildings: Synergistic enhancement of energy efficiency and mechanical strength via low melting point alloy 智能建筑中水泥复合材料的新型储能策略:通过低熔点合金协同提高能源效率和机械强度
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120952
Jianyu Xu , Junsheng Zheng , Jinghao Su , Zongjin Li , Kangyang Liang , Cuijuan Pang , Qing Liu
Conventional organic/inorganic phase change materials (PCMs) in cementitious composites often suffer from low thermal conductivity, poor high-temperature stability, and mechanical property degradation. This study proposes a novel strategy using a core-shell PCM, with a low-melting-point alloy (LMPA) core and a gelatin shell, to enhance the interface transition zone. The LMPA PCM exhibits a melting point of 49.4 °C and a latent heat of 29.8 J/g. This design leads to a synergistic improvement in the composite's properties: an 11.8% increase in thermal conductivity, maintained thermal stability at 800 °C, and a high compressive strength of 51.4 MPa with 6% LMPA PCM incorporation. The thermal energy storage capacity is optimized by particle size and sample thickness, with 6% large-sized particles in 30 mm-thick samples performing best. This research provides valuable insights for developing cement composites that enhance indoor thermal comfort and reduce energy consumption.
传统胶凝复合材料中的有机/无机相变材料(PCMs)往往存在导热系数低、高温稳定性差、力学性能下降等问题。本研究提出了一种新的策略,采用低熔点合金(LMPA)芯和明胶壳的核-壳复合材料来增强界面过渡区。LMPA PCM熔点为49.4℃,潜热为29.8 J/g。这种设计导致复合材料性能的协同改善:导热系数提高11.8%,在800°C时保持热稳定性,抗压强度高达51.4 MPa,掺入6% LMPA的PCM。储热能力受颗粒大小和样品厚度的影响,在30 mm厚的样品中,6%的大颗粒表现最佳。该研究为开发增强室内热舒适性和降低能耗的水泥复合材料提供了有价值的见解。
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引用次数: 0
A queueing-based framework for packetized energy in renewable storage systems 基于排队的可再生能源存储系统能量分组框架
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120682
Tho Minh-Duong, Syed Maaz Shahid, Sungoh Kwon
In this paper, we propose an analytical model for a renewable energy-based energy storage system (ESS). Renewable energy (RE) is crucial for the future grid, ensuring energy security and sustainability while reducing carbon emissions amid growing global demand. ESSs play a vital role in integrating RE by addressing the variability of energy generation and consumption; however, limited storage capacity constrains their effectiveness. To address ESS capacity constraints, packetized energy networks dynamically coordinate supply and demand via discrete energy packets, optimizing infrastructure utilization and enabling better integration of RE. However, analyzing the integrated system presents many challenges due to the stochastic nature of RE. To tackle this issue, we propose a queueing-based analysis scheme to study the interaction between energy generation and consumption, aiming to capture the system’s behavior. Using the M/M/1 queueing model, we derive a closed-form expression to estimate the time until the system fails due to energy insufficiency.Our analysis effectively captures the expected time to failure and the energy deficit during the failure period. The validity of our analysis is verified through simulations.
本文提出了一个基于可再生能源的储能系统的分析模型。可再生能源(RE)对未来电网至关重要,可以确保能源安全和可持续性,同时在全球需求不断增长的情况下减少碳排放。通过解决能源生产和消费的可变性,ess在整合可再生能源方面发挥着至关重要的作用;然而,有限的存储容量限制了它们的有效性。为了解决ESS容量约束问题,分组能源网络通过离散能量包动态协调供需,优化基础设施利用率并实现可再生能源的更好集成。然而,由于可再生能源的随机性,分析集成系统存在许多挑战。为了解决这一问题,我们提出了一种基于队列的分析方案来研究能源产生和消耗之间的相互作用,旨在捕捉系统的行为。利用M/M/1排队模型,导出了系统因能量不足而失效时间的封闭表达式。我们的分析有效地捕获了故障的预期时间和故障期间的能量赤字。通过仿真验证了分析的有效性。
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引用次数: 0
Battery state-of-health estimation via thermoelectric graph learning and interpretable temporal decomposition for real-world electric vehicles 基于热电图学习和可解释时间分解的真实电动汽车电池健康状态估计
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120956
Zhilong Lv , Shiqi (Shawn) Ou , Hao Jing , Haobo Dong , Dapai Shi , Jingyuan Zhao
Accurate and interpretable estimation of state-of-health (SOH) is critical for the safe and efficient operation of electric vehicles (EVs). Existing data-driven methods, however, struggle to capture spatial heterogeneity across cells and the variability introduced by user-specific charging behaviors. These limitations often lead to poor generalizability and limited interpretability. To address these challenges, this study proposes a framework that combines the dynamic graph attention network (DGAT) and neural basis expansion analysis for interpretable time series forecasting (N-BEATS) to achieve spatial modeling and interpretability. The framework is evaluated using real-world on-road operational data from 300 EVs, comprising approximately 850 million data points. The results demonstrate that the proposed method significantly outperforms state-of-the-art baselines, achieving a root mean square error of 1.22% and a mean absolute percentage error (MAPE) of 0.98%. Furthermore, by incorporating an adapter-based transfer learning strategy, the model maintains a low MAPE of 1.43% using only 10% of the target domain data. Beyond estimation accuracy, the proposed relative charging preference (RCP) metric quantifies user behavior, revealing that users with RCP greater than 0.8 exhibit 38.1% higher degradation rates and SOH estimation errors above 20%. These findings highlight the strengths of the proposed DGAT–N-BEATS framework in spatiotemporal modeling, generalizability, and interpretability, demonstrating its substantial potential for battery health management applications.
准确且可解释的健康状态(SOH)评估对于电动汽车的安全高效运行至关重要。然而,现有的数据驱动方法很难捕捉到电池间的空间异质性以及用户特定充电行为带来的可变性。这些限制往往导致较差的概括性和有限的可解释性。为了解决这些挑战,本研究提出了一个将动态图注意网络(DGAT)和可解释时间序列预测(N-BEATS)的神经基展开分析相结合的框架,以实现空间建模和可解释性。该框架使用来自300辆电动汽车的真实道路运行数据进行评估,包括大约8.5亿个数据点。结果表明,该方法显著优于最先进的基线,均方根误差为1.22%,平均绝对百分比误差(MAPE)为0.98%。此外,通过结合基于适配器的迁移学习策略,该模型仅使用10%的目标领域数据就保持了1.43%的低MAPE。除了估算精度之外,所提出的相对收费偏好(RCP)指标还量化了用户行为,表明RCP大于0.8的用户的退化率高出38.1%,SOH估算误差超过20%。这些发现突出了DGAT-N-BEATS框架在时空建模、概括性和可解释性方面的优势,展示了其在电池健康管理应用中的巨大潜力。
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引用次数: 0
Comprehensive modeling of lithium-ion batteries at the system level to minimize experimental lifetime testing effort 在系统层面对锂离子电池进行全面建模,以最大限度地减少实验寿命测试的工作量
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120843
Tobias Brehler , Claudius Diez , Sven Maisel , Lorenzo Nicoletti , Michael Kick , Cristina Grosu , Markus Lienkamp
The operating conditions of lithium-ion batteries substantially influence their aging behavior. In interconnected systems, these conditions differ from one cell to another, and hence, analyzing aging solely at the cell level is inadequate. System-level lifetime tests are costly and require significant time because of their inherent complexity. This study introduces a comprehensive approach for the modeling of batteries at the cell and system levels to reduce the need for extensive experimental testing. The system model incorporates an equivalent circuit electrical and a lumped thermal cell model, along with four integrated semi-empirical aging models to consider the degradation of the capacity and all three resistances. A parameterization for each model, requiring minimal experimental testing effort, is included. The electro-thermal system model is validated using commercial cells and self-assembled modules with each 16 cells in series, parallel, and series-parallel connection. A simulation-based sensitivity analysis shows that pronounced variations in the cell capacity within interconnected battery systems significantly impact the degradation process due to their influence on the aging stress factors.
锂离子电池的工作条件对其老化行为有很大影响。在相互关联的系统中,这些条件因细胞而异,因此,仅在细胞水平上分析衰老是不够的。系统级生命周期测试由于其固有的复杂性是昂贵的,并且需要大量的时间。本研究介绍了一种全面的方法,用于在电池和系统级别对电池进行建模,以减少对大量实验测试的需要。该系统模型包括等效电路和集总热电池模型,以及四个集成的半经验老化模型,以考虑容量和所有三个电阻的退化。每个模型的参数化,需要最小的实验测试工作,包括。电热系统模型使用商用电池和自组装模块进行验证,每16个电池采用串联,并联和串并联连接。基于仿真的灵敏度分析表明,互联电池系统中电池容量的显著变化由于其对老化应力因素的影响而显著影响了电池的退化过程。
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引用次数: 0
Research on transient energy dissipation characteristics and dynamic evolution mechanism in pump mode of variable-speed pumped storage units 变速抽水蓄能机组泵态暂态能量耗散特性及动态演化机制研究
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120940
Chenhao Li , Xitong Wu , Zhenyu Chen , Xingqi Luo , Guojun Zhu , Jianjun Feng , Like Wang
Variable-speed operation of pump-turbines enhances efficiency and grid stability in renewable-rich power systems. However, the internal complex flow and energy dissipation mechanisms during speed regulation, particularly throughout complete speed increase and decrease cycles, are not well understood, posing challenges to operational safety and efficiency optimization. This study systematically investigates and compares the internal flow and energy dissipation under linear speed increase and decrease processes in pump mode using high-fidelity numerical simulation, experimental validation, and entropy generation theory. The results indicate that variable-speed operation significantly affects the internal flow structure and energy distribution: although the speed increase process locally improves the flow pattern at the stay vanes, the total system entropy generation increases by 17.9% compared to constant-speed operation, indicating intensified flow disturbance; during the speed decrease process, velocity distribution at runner outlet becomes more uniform, the velocity gradient decreases significantly, effectively suppressing flow separation and vortex dissipation in areas of runner and guide vanes, leading to a significant 12.6% reduction in total system entropy generation compared to constant-speed operation and improved energy efficiency. The runner and double-row cascades remain the primary sources of energy loss, accounting for over 62.7% of entropy generation. Entropy gradients are strongest near the runner crown, while the spiral casing exhibits nonlinear loss and the draft tube remains stable. These findings, derived from a direct comparison of bidirectional speed regulation, fill a gap in understanding transient loss mechanisms and provide a theoretical basis for the optimized design and safe operation of variable-speed pump-turbines.
水泵水轮机的变速运行提高了可再生能源发电系统的效率和电网的稳定性。然而,在速度调节过程中,特别是在整个增减速度循环过程中,内部复杂的流动和能量耗散机制尚未得到很好的理解,这给运行安全和效率优化带来了挑战。本研究采用高保真数值模拟、实验验证和熵生成理论,系统地研究和比较了泵模式下线性增减转速过程中的内部流动和能量耗散。结果表明,变速运行显著影响了内部流动结构和能量分布:虽然增速过程局部改善了停留叶处的流态,但系统总熵产比等速运行增加了17.9%,表明流动扰动加剧;在减速过程中,流道出口处的速度分布更加均匀,速度梯度显著减小,有效抑制了流道和导叶区域的流动分离和涡耗散,使系统总熵产比等速运行显著减少12.6%,提高了能效。流道和双排叶栅仍然是能量损失的主要来源,占熵产的62.7%以上。在流道顶部附近,熵梯度最强,螺旋机匣呈现非线性损失,尾水管保持稳定。这些发现来源于双向调速的直接比较,填补了暂态损失机理的空白,为变频水泵水轮机的优化设计和安全运行提供了理论依据。
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引用次数: 0
Unlocking vanadium dichalcogenide monolayers (V2Se2 and V2Te2) for high-performing sodium-ion batteries: From experiment to first-principles 解锁用于高性能钠离子电池的二硫化钒单层(V2Se2和V2Te2):从实验到第一性原理
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120895
Mousumi Parvin , Beena Mol Babu , Tata Sanjay Kanna Sharma , Jayasmita Jana , Somnath Chowdhury , Seung Hyun Hur , Won Mook Choi , Sung Gu Kang , Bikash Chandra Gupta
Developing an efficient anode material is always beneficial for advancing sodium-ion battery (SIB) technology. Experimental studies on vanadium-based dichalcogenides have demonstrated the feasibility of synthesizing layered chalcogenide materials such as V2Se2 and V2Te2 composed of its two-dimensional (2D) building units. These stacked structures were successfully synthesized using thermal treatment and characterized using X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and field emission scanning electron microscopy (FESEM). Furthermore, Density functional theory calculations were performed to explore the potential of V2Se2 and V2Te2 monolayers as anode materials. The results confirmed their overall stability, supporting structural robustness during battery operation. Both monolayers exhibit low Na+ diffusion barriers (0.24–0.28 eV), enabling rapid ion transport, along with a maximum theoretical capacity of 619.17 mAh/g and low open-circuit voltages, highlighting their strong potential as next-generation anode materials for sodium-ion batteries.
开发高效的负极材料是推动钠离子电池技术发展的重要途径。钒基二硫族化合物的实验研究证明了由其二维构建单元组成的V2Se2和V2Te2等层状二硫族化合物材料的可行性。通过热处理成功合成了这些堆叠结构,并利用x射线衍射(XRD)、拉曼光谱(Raman spectroscopy)、x射线光电子能谱(XPS)和场发射扫描电镜(FESEM)对其进行了表征。此外,通过密度泛函理论计算,探索了V2Se2和V2Te2单层作为阳极材料的潜力。结果证实了它们的整体稳定性,在电池运行期间支持结构稳健性。这两种单层材料均具有低Na+扩散势垒(0.24-0.28 eV),可实现快速离子传输,最大理论容量为619.17 mAh/g,开路电压低,突出了它们作为下一代钠离子电池负极材料的强大潜力。
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